3-(1-adamantylamino)-N,N-dimethylpropanamide

C15H26N2O — CID 54879253

IUPAC3-(1-adamantylamino)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H26N2O/c1-17(2)14(18)3-4-16-15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13,16H,3-10H2,1-2H3
InChIKeyZOASPZPPBFIVEW-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.02
Rot. Bonds4

About 3-(1-adamantylamino)-N,N-dimethylpropanamide

3-(1-adamantylamino)-N,N-dimethylpropanamide (PubChem CID 54879253) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-(1-adamantylamino)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(1-adamantylamino)-N,N-dimethylpropanamide
PubChem CID54879253
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name3-(1-adamantylamino)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H26N2O/c1-17(2)14(18)3-4-16-15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13,16H,3-10H2,1-2H3
InChIKeyZOASPZPPBFIVEW-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantylamino)-N,N-dimethylpropanamide?
The IUPAC name of 3-(1-adamantylamino)-N,N-dimethylpropanamide (CID 54879253) is 3-(1-adamantylamino)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(1-adamantylamino)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(1-adamantylamino)-N,N-dimethylpropanamide is CN(C)C(=O)CCNC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 3-(1-adamantylamino)-N,N-dimethylpropanamide?
The InChIKey is ZOASPZPPBFIVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-17(2)14(18)3-4-16-15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13,16H,3-10H2,1-2H3.
What are the key properties of 3-(1-adamantylamino)-N,N-dimethylpropanamide?
3-(1-adamantylamino)-N,N-dimethylpropanamide has a molecular weight of 250.39 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantylamino)-N,N-dimethylpropanamide is sourced from PubChem (CID 54879253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).